5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

C90H70F11N9O7 — CID 160859862

IUPAC5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccc(F)c3F)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H23F5N2O2.C30H24F3N3O2.C29H23F3N4O3/c1-17-10-13-19(14-11-17)37-28(39)21-16-18(12-15-22(21)31(34,35)36)20-6-4-8-24-26(20)30(2,3)29(40)38(24)25-9-5-7-23(32)27(25)33;1-18-9-12-20(13-10-18)35-27(37)23-16-19(11-14-24(23)30(31,32)33)22-7-4-8-25-26(22)29(2,3)28(38)36(25)21-6-5-15-34-17-21;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)39-28(2,3)26(38)36(23)27-33-14-5-15-34-27/h4-16H,1-3H3,(H,37,39);4-17H,1-3H3,(H,35,37);4-16H,1-3H3,(H,35,37)
InChIKeySKIMLBCBXBMYEO-UHFFFAOYSA-N
MW1598.58 g/mol
LogP22.01
Rot. Bonds12

About 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 160859862) has the molecular formula C90H70F11N9O7 and a molecular weight of 1598.58 g/mol. Its IUPAC name is 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID160859862
Molecular FormulaC90H70F11N9O7
Molecular Weight1598.58 g/mol
Exact Mass1597.52
IUPAC Name5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccc(F)c3F)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H23F5N2O2.C30H24F3N3O2.C29H23F3N4O3/c1-17-10-13-19(14-11-17)37-28(39)21-16-18(12-15-22(21)31(34,35)36)20-6-4-8-24-26(20)30(2,3)29(40)38(24)25-9-5-7-23(32)27(25)33;1-18-9-12-20(13-10-18)35-27(37)23-16-19(11-14-24(23)30(31,32)33)22-7-4-8-25-26(22)29(2,3)28(38)36(25)21-6-5-15-34-17-21;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)39-28(2,3)26(38)36(23)27-33-14-5-15-34-27/h4-16H,1-3H3,(H,37,39);4-17H,1-3H3,(H,35,37);4-16H,1-3H3,(H,35,37)
InChIKeySKIMLBCBXBMYEO-UHFFFAOYSA-N
XLogP22.01
TPSA196.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001598.58
LogP ≤ 522.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

US8653087, III-541
CID 68036371
3-[[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]amino]-4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 126514102
5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306725
5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306770
5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306794
5-(2,2-dimethyl-4-pyrimidin-2-yl-3H-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146323874
5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethoxy)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-4-yl-2-(trifluoromethyl)benzamide
CID 157121939
5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
CID 157457960
5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;methane
CID 158151369
5-[3-(2,3-difluorophenyl)-2-oxo-1,3-benzoxazol-7-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158237162
5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158584640
5-(3,3-dimethyl-2-oxo-1-pyrazin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 158854668

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 160859862) is 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccc(F)c3F)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is SKIMLBCBXBMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F5N2O2.C30H24F3N3O2.C29H23F3N4O3/c1-17-10-13-19(14-11-17)37-28(39)21-16-18(12-15-22(21)31(34,35)36)20-6-4-8-24-26(20)30(2,3)29(40)38(24)25-9-5-7-23(32)27(25)33;1-18-9-12-20(13-10-18)35-27(37)23-16-19(11-14-24(23)30(31,32)33)22-7-4-8-25-26(22)29(2,3)28(38)36(25)21-6-5-15-34-17-21;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)39-28(2,3)26(38)36(23)27-33-14-5-15-34-27/h4-16H,1-3H3,(H,37,39);4-17H,1-3H3,(H,35,37);4-16H,1-3H3,(H,35,37).
What are the key properties of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1598.58 g/mol, XLogP of 22.01, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 160859862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).